1,2-diphenylethane-1,2-dithiolate; nickel(2+); tetrabutylazanium

Systemtic Name: 1,2-diphenylethane-1,2-dithiolate; nickel(2+); tetrabutylazanium Openeye Name: nickelous; 1,2-diphenylethane-1,2-dithiolate; tetrabutylammonium CAS Name: 1,2-diphenylethane-1,2-dithiolate; nickel(2+); tetrabutylammonium IUPAC Name: 1,2-diphenylethane-1,2-dithiolate; nickel(2+); tetrabutylazanium Traditional Name: nickelous; 1,2-diphenylethane-1,2-dithiolate; tetrabutylammonium Formula: C44H60NNiS4- MolecularWeight: 789.9073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[S-])[S-].C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[S-])[S-].[Ni+2]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[S-])[S-].C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[S-])[S-].[Ni+2]

InChI

InChI=1S/C16H36N.2C14H14S2.Ni/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h5-16H2,1-4H3;2*1-10,13-16H;/q+1;;;+2/p-4